SCHEMBL1045110

SCHEMBL1045110

CCCCC(=O)N1CCC(c2nc(C(=O)N3CCCC4CCCCC43)cs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
TRPC3 Q13507 3/20 0.39
TRPC6 Q9Y210 3/20 0.39
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GNAI3 P08754 6/20 0.36
GNAO1 P09471 6/20 0.36
GNAI1 P63096 6/20 0.36
PPARG P37231 1/20 0.36
TRPA1 O75762 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
SPR P35270 1/20 0.35
NPC1 O15118 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1042702 0.90 HSD11B1 (0.47) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL3455572 0.87 HSD11B1 (0.47) HSD11B1TRPC3TRPC6MEN1MAPT
SCHEMBL1043970 0.86 HSD11B1 (0.38) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL1042416 0.85 HSD11B1 (0.38) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL6526928 0.85 HSD11B1 (0.45) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL6526996 0.85 HSD11B1 (0.45) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL1043671 0.85 HSD11B1 (0.42) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL6526735 0.85 POLB (0.44) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL1040331 0.84 HSD11B1 (0.40) HSD11B1TRPC3TRPC6POLBTDP1
SCHEMBL1042837 0.84 HSD11B1 (0.44) HSD11B1TRPC3TRPC6POLBTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US claimed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP claimed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US claimed
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP claimed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO claimed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO claimed
US-8546575-B2 NIP thiazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydroge-nase-1 MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
EP-2271405-B1 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2013-07-24 EP disclosed
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 Merck Patent Gesellschaft Mit Beschrankter Haftling (DE) 2011-03-10 US disclosed
EP-2271405-A2 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDORXYSTEROID DEHYDROGENASE-1 Merck Patent GmbH (DE) 2011-01-12 EP disclosed
WO-2009135581-A9 NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2010-11-11 WO disclosed
WO-2009135581-A2 NOVEL NIP THIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK PATENT GMBH (DE) 2009-11-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110060007-A1 Novel NIP Thiazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydroge-Nase-1 HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885TRPC3 4307/4885TRPC6 4574/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.